methyl 3-[2-[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[1-(4-carbamoylanilino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C22H22N4O5S/c1-13(20(29)24-15-9-7-14(8-10-15)19(23)28)32-22-25-17-6-4-3-5-16(17)21(30)26(22)12-11-18(27)31-2/h3-10,13H,11-12H2,1-2H3,(H2,23,28)(H,24,29)